chempirical

Ethyl 4-methylbenzoate

C10H12O2CAS 94-08-6164.20 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Density
1.025 g/mL (at 20 °C)
Melting point
131 °C
Boiling point
232 °C
logP
2.17Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
94-08-6
SMILES
CCOC(=O)c1ccc(C)cc1
InChIKey
NWPWRAWAUYIELB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

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Names and synonyms

7 names
  • Benzoic acid, 4-methyl-, ethyl ester
  • p-Toluic acid, ethyl ester
  • Ethyl p-toluate
  • Ethyl p-methylbenzoate
  • 4-Methylbenzoic acid ethyl ester
  • NSC 24767
  • 4-Methyl-1-benzoic acid ethyl ester

Work with Ethyl 4-methylbenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl terephthalate636-09-981 % similar Ethyl benzoate93-89-067 % similar Ethylparaben120-47-866 % similar Ethyl 4-ethoxybenzoate23676-09-766 % similar Ethyl 4-fluorobenzoate451-46-766 % similar Ethyl 4-iodobenzoate51934-41-966 % similar Ethyl 4-bromobenzoate5798-75-466 % similar Ethyl 4-chlorobenzoate7335-27-566 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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